# generated using pymatgen
data_Li4Fe2C4SO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.72950176
_cell_length_b   9.64650226
_cell_length_c   9.31366401
_cell_angle_alpha   61.71886244
_cell_angle_beta   60.82336578
_cell_angle_gamma   57.45777177
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Fe2C4SO16
_chemical_formula_sum   'Li8 Fe4 C8 S2 O32'
_cell_volume   616.24866877
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.95245900  0.54754100  0.95245900  1
  Li  Li1  1  0.54579700  0.95420300  0.95420300  1
  Li  Li2  1  0.29579700  0.70420300  0.70420300  1
  Li  Li3  1  0.70245900  0.29754100  0.70245900  1
  Li  Li4  1  0.54754100  0.95245900  0.54754100  1
  Li  Li5  1  0.95420300  0.54579700  0.54579700  1
  Li  Li6  1  0.70420300  0.29579700  0.29579700  1
  Li  Li7  1  0.29754100  0.70245900  0.29754100  1
  Fe  Fe8  1  0.12500000  0.12500000  0.12500000  1
  Fe  Fe9  1  0.12500000  0.12500000  0.62500000  1
  Fe  Fe10  1  0.12500000  0.62500000  0.12500000  1
  Fe  Fe11  1  0.62500000  0.12500000  0.12500000  1
  C  C12  1  0.91705500  0.91034900  0.89427400  1
  C  C13  1  0.33965100  0.33294500  0.97167800  1
  C  C14  1  0.89427400  0.27832200  0.91705500  1
  C  C15  1  0.27832200  0.89427400  0.91034900  1
  C  C16  1  0.97167800  0.35572600  0.33965100  1
  C  C17  1  0.35572600  0.97167800  0.33294500  1
  C  C18  1  0.91034900  0.91705500  0.27832200  1
  C  C19  1  0.33294500  0.33965100  0.35572600  1
  S  S20  1  0.50000000  0.50000000  0.50000000  1
  S  S21  1  0.75000000  0.75000000  0.75000000  1
  O  O22  1  0.93698100  0.76573700  0.01445700  1
  O  O23  1  0.30775100  0.57840100  0.55795400  1
  O  O24  1  0.04413300  0.92878800  0.75769200  1
  O  O25  1  0.32121200  0.20586700  0.98061200  1
  O  O26  1  0.75769200  0.26938800  0.04413300  1
  O  O27  1  0.21289200  0.48337400  0.96613600  1
  O  O28  1  0.55795400  0.55589400  0.30775100  1
  O  O29  1  0.57840100  0.30775100  0.55589400  1
  O  O30  1  0.33759800  0.96613600  0.48337400  1
  O  O31  1  0.26938800  0.75769200  0.92878800  1
  O  O32  1  0.48426300  0.31301900  0.96717500  1
  O  O33  1  0.55589400  0.55795400  0.57840100  1
  O  O34  1  0.01445700  0.28282500  0.93698100  1
  O  O35  1  0.28282500  0.01445700  0.76573700  1
  O  O36  1  0.76662600  0.03710800  0.91240200  1
  O  O37  1  0.96613600  0.33759800  0.21289200  1
  O  O38  1  0.28386400  0.91240200  0.03710800  1
  O  O39  1  0.48337400  0.21289200  0.33759800  1
  O  O40  1  0.96717500  0.23554300  0.48426300  1
  O  O41  1  0.23554300  0.96717500  0.31301900  1
  O  O42  1  0.69410600  0.69204600  0.67159900  1
  O  O43  1  0.76573700  0.93698100  0.28282500  1
  O  O44  1  0.98061200  0.49230800  0.32121200  1
  O  O45  1  0.91240200  0.28386400  0.76662600  1
  O  O46  1  0.67159900  0.94224900  0.69410600  1
  O  O47  1  0.69204600  0.69410600  0.94224900  1
  O  O48  1  0.03710800  0.76662600  0.28386400  1
  O  O49  1  0.49230800  0.98061200  0.20586700  1
  O  O50  1  0.92878800  0.04413300  0.26938800  1
  O  O51  1  0.20586700  0.32121200  0.49230800  1
  O  O52  1  0.94224900  0.67159900  0.69204600  1
  O  O53  1  0.31301900  0.48426300  0.23554300  1
